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Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label
CHEMICAL PHYSICS LETTERS
Hydrogen bonding to tyrosyl radical analyzed by ab initio g-tensor calculations
JOURNAL OF PHYSICAL CHEMISTRY A
Ab initio calculations of molecular resonant photoemission spectra
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MCSCF and DFT calculations of EPR parameters of sulfur centered radicals
CHEMICAL PHYSICS LETTERS
Near-edge X-ray absorption and dichroism in amino acids
JOURNAL OF SYNCHROTRON RADIATION
Hartree-Fock linear response calculations of g-tensors of substituted benzene radicals
CHEMICAL PHYSICS
Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings
JOURNAL OF COMPUTATIONAL CHEMISTRY
Photoionization cross sections of charge-induced gap states: A theoreticalstudy of doped diphenylpolyenes
PHYSICAL REVIEW B-CONDENSED MATTER
Orientation of 10,11-dihydrocinchonidine on Pt(111)
SURFACE SCIENCE
Second- and third-order spin-orbit contributions to nuclear shielding tensors
JOURNAL OF CHEMICAL PHYSICS
ENERGY-DEPENDENT VALENCE PHOTOELECTRON-SPECTRA OF SF6 - AB-INITIO CALCULATIONS AND MEASUREMENTS
Journal of electron spectroscopy and related phenomena
LINEAR-RESPONSE CALCULATIONS OF ELECTRONIC G-FACTORS AND SPIN-ROTATIONAL COUPLING-CONSTANTS FOR DIATOMIC-MOLECULES WITH A TRIPLET GROUND-STATE
Chemical physics
THEORETICAL-STUDY OF X-RAY CIRCULAR-DICHROISM OF AMINO-ACIDS
Chemical physics
QUADRATIC RESPONSE CALCULATIONS OF THE ELECTRONIC SPIN-ORBIT CONTRIBUTION TO NUCLEAR SHIELDING TENSORS
The Journal of chemical physics
SOME RECENT DEVELOPMENTS OF HIGH-ORDER RESPONSE THEORY
International journal of quantum chemistry
INTERNUCLEAR DISTANCE DEPENDENCE OF THE SPIN-ORBIT-COUPLING CONTRIBUTIONS TO PROTON NMR CHEMICAL-SHIFTS
Chemical physics letters
DIRECT SCF DIRECT STATIC-EXCHANGE CALCULATIONS OF ELECTRONIC-SPECTRA
Theoretical chemistry accounts
SELF-CONSISTENT-FIELD CALCULATIONS OF X-RAY-EMISSION SPECTRA OF SURFACE ADSORBATES AND POLYMERS
Journal de physique. IV
AB-INITIO STATIC EXCHANGE CALCULATIONS OF SHAKE-UP SPECTRA OF MOLECULES AND SURFACE ADSORBATES
Journal de physique. IV
THEORY OF NATURAL CIRCULAR-DICHROISM IN X-RAY RAMAN-SCATTERING FROM MOLECULES
Physical review. A
NATURAL CIRCULAR-DICHROISM IN NONRESONANT X-RAY-EMISSION
Journal of physics. B, Atomic molecular and optical physics
SUBSTITUTED BENZENES AS BUILDING-BLOCKS IN NEAR-EDGE X-RAY-ABSORPTIONSPECTRA
Chemical physics
DENSITY-OF-STATES VS CROSS-SECTION INTERPRETATIONS OF VALENCE PHOTOELECTRON-SPECTRA
Europhysics letters
THE HYPERMAGNETIZABILITY OF MOLECULAR-OXYGEN
The Journal of chemical physics
AB-INITIO CALCULATIONS OF ELECTRONIC G-FACTORS BY MEANS OF MULTICONFIGURATION RESPONSE THEORY
Chemical physics letters
ORDINARY AND ROTATORY INTENSITIES FOR X-RAY-ABSORPTION AT THE C-1S EDGE OF ORGANIC CHIRAL MOLECULES, PROPYLENE-OXIDE AND TRANS-1,2-DIMETHYLCYCLOPROPANE
Chemical physics letters
MAGNETIC PHOSPHORESCENCE OF MOLECULAR-OXYGEN - A STUDY OF THE B1-SIGMA(G)(-X(3)SIGMA(G)(-) TRANSITION-PROBABILITY USING MULTICONFIGURATION RESPONSE THEORY())
Chemical physics
NONLINEAR ELECTRIC AND MAGNETIC-PROPERTIES OBTAINED FROM CUBIC RESPONSE FUNCTIONS IN THE RANDOM-PHASE-APPROXIMATION
Chemical physics
STATIC EXCHANGE AND CLUSTER MODELING OF CORE ELECTRON SHAKEUP SPECTRAOF SURFACE ADSORBATES - CO CU(100)/
Physical review. B, Condensed matter
MAGNETIC HYPERPOLARIZABILITIES IN A CUBIC RESPONSE FORMULATION
Theoretica Chimica Acta
SELF-CONSISTENT-FIELD CALCULATIONS OF X-RAY-EMISSION SPECTRA OF SURFACE ADSORBATES - CO CU(100)/
Surface science
CLUSTER MODELING OF CORE ELECTRON PHOTOABSORPTION OF CO ADSORBED ON CU(100)
Surface science
STATIC EXCHANGE CALCULATIONS OF X-RAY-ABSORPTION FINE-STRUCTURES IN POLYMERS AND SURFACE ADSORBATES
Physica. B, Condensed matter
NEAR-EDGE CORE PHOTOABSORPTION IN POLYACENES - MODEL MOLECULES FOR GRAPHITE
Chemical physics
ORIENTATIONAL PROBING OF POLYMERIC THIN-FILMS BY NEXAFS - CALCULATIONS ON POLYTETRAFLUOROETHYLENE
Physical review. B, Condensed matter
CALCULATION OF NEXAFS SPECTRA FOR SURFACE-ADSORBATES - HYDROXYL ON CU(111)
The Journal of chemical physics
NEAR-EDGE CORE PHOTOABSORPTION IN POLYENES
The Journal of chemical physics
SPIN-ORBIT-COUPLING IN THE INTERSYSTEM CROSSING OF THE RING-OPENED OXIRANE BIRADICAL
International journal of quantum chemistry
CUBIC RESPONSE FUNCTIONS IN THE RANDOM-PHASE-APPROXIMATION
Chemical physics letters
RESONANT AND NONRESONANT X-RAY-SCATTERING FROM C-70
Chemical physics letters
RADIATIVE LIFETIMES OF TRIPLET SPIN SUBLEVELS OF THE AZABENZENES
Chemical physics
DIRECT ONE-INDEX TRANSFORMATIONS IN MULTICONFIGURATION RESPONSE CALCULATIONS
Journal of computational chemistry
THE PHOSPHORESCENCE OF BENZENE OBTAINED BY AB-INITIO AND SEMIEMPIRICAL CALCULATIONS
Theoretica Chimica Acta
THE VEGARD-KAPLAN BAND AND THE PHOSPHORESCENT DECAY OF N-2
Chemical physics letters
AB-INITIO CALCULATIONS OF X-RAY-EMISSION FROM C-60
Chemical physics letters
DIRECT, ATOMIC ORBITAL, STATIC EXCHANGE CALCULATIONS OF PHOTOABSORPTION SPECTRA OF LARGE MOLECULES AND CLUSTERS
Chemical physics letters
THE VIBRONICALLY INDUCED PHOSPHORESCENCE IN BENZENE
Chemical physics
AB-INITIO STUDY OF THE NMR SHIELDING CONSTANTS AND SPIN-SPIN COUPLING-CONSTANTS IN CYCLOPROPENE
Theoretica Chimica Acta
VERY SLOW SPONTANEOUS DISSOCIATION OF CO2-ION STORAGE-RING( OBSERVED BY MEANS OF A HEAVY)
Physical review letters
FREQUENCY-DEPENDENT POLARIZABILITIES AND 1ST HYPERPOLARIZABILITIES OFH2O
The Journal of chemical physics
DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE
The Journal of chemical physics
INTEGRAL APPROXIMATIONS FOR LCAO-SCF CALCULATIONS
Chemical physics letters
THE NUCLEAR SPIN-SPIN COUPLING IN N2 AND CO
Chemical physics letters
THE HYPERPOLARIZABILITY DISPERSION OF PARA-NITROANILINE
Chemical physics letters
FREQUENCY-DEPENDENT POLARIZABILITIES AND 2ND HYPERPOLARIZABILITIES OFN2
Chemical physics letters